SCHEMBL5607572

SCHEMBL5607572

CCOCC(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.41
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ESR1 P03372 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
PPARG P37231 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12588874 0.89 TSHR (0.43) LMNAMAPTTSHRTDP1ALDH1A1
SCHEMBL11115364 0.87 LMNA (0.46) LMNAMAPTTSHRTDP1CYP2D6
SCHEMBL128878 0.83 LMNA (0.41) LMNAMAPTTSHRALDH1A1MGAM
SCHEMBL10907112 0.82 ALDH1A1 (0.33) LMNATSHRTDP1ALDH1A1MGAM
SCHEMBL16861340 0.82 USP2 (0.33) LMNATSHRTDP1ALDH1A1MGAM
SCHEMBL5606265 0.82 LMNA (0.48) LMNAMAPTTSHRTDP1CYP2D6
SCHEMBL7651937 0.81 TDP1 (0.43) LMNAMAPTTSHRTDP1CYP2D6
SCHEMBL5085700 0.81 LMNA (0.42) LMNAMAPTTSHRTDP1CYP2D6
SCHEMBL9937292 0.80 FAAH (0.31) LMNATSHRTDP1ALDH1A1MGAM
SCHEMBL11912087 0.79 MAPT (0.43) LMNAMAPTTSHRTDP1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1075062-C Acetic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN claimed
CN-1112104-A Acetic acid derivatives HOFFMANN LA ROCHE (CH) 1995-11-22 CN claimed
CN-110546568-A Composition for forming coating film on substrate having level difference, comprising plasma-curable compound using unsaturated bond between carbon atoms NISSAN CHEMICAL CORP 2019-12-06 CN disclosed
CN-110475473-A Containing monoterpene/Phenylpropanoid Glycosides compound and preparation method thereof and as the purposes of insecticide KITTRICH CORP 2019-11-19 CN disclosed
CN-105153192-B Substituted tetrahydro thienopyridine derivative and its application 南京曼杰生物科技有限公司 2019-03-29 CN disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
CN-105940060-A Aqueous coating composition for dip coating of electrically conductive substrates containing bismuth and a phosphorus-containing amine-blocked compound 巴斯夫涂料有限公司 2016-09-14 CN disclosed
CN-105814147-A Aqueous coating composition comprising bismuth in dissolved and undissolved form for dip coating electrically conductive substrates 巴斯夫涂料有限公司 2016-07-27 CN disclosed
CN-105765007-A Aqueous coating composition comprising magnesium oxide for dip coating of electrically conductive substrates 巴斯夫涂料有限公司 2016-07-13 CN disclosed
US-8044230-B2 Hydrolytic stability needed to maintain the prodrug in solution in the subject's system until appropriate conditions exist when the prodrug can hydrolyze, releasing the active compound INTERVET INC. (US) 2011-10-25 US disclosed
US-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs SCHERING-PLOUGH ANIMAL HEALTH CORPORATION 2008-08-07 US disclosed
US-20080153906-A1 Water-Soluble Phenicol Prodrugs in a Lipophilic Vehicle System INTERVET INC. 2008-06-26 US disclosed
US-20080146640-A1 Water-Soluble Prodrugs of Chloramphenicol, Thiamphenicol, and Analogs Thereof SCHERING-PLOUGH LTD. (CH) 2008-06-19 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
EP-1687250-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS Takasago International Corporation (JP) 2006-08-09 EP disclosed
WO-2005051882-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-(4-HYDROXYPHENYL)PROPIONIC ACIDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-09 WO disclosed
CN-1075062-C Acetic acid derivatives HOFFMANN LA ROCHE (CH) 2001-11-21 CN disclosed
CN-1112104-A Acetic acid derivatives HOFFMANN LA ROCHE (CH) 1995-11-22 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 LMNA 3064/4885MAPT 4471/4885TSHR 4648/4885
US-20080153906-A1 Water-Soluble Phenicol Prodrugs in a Lipophilic Vehicle System BPHL, CYP4B1, CYP4A22 LMNA 614/4885MAPT 1057/4885TSHR 2907/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L LMNA 2786/4885MAPT 4391/4885TSHR 4619/4885
US-20080188556-A1 Water-Soluble Prodrugs of Florfenicol and its Analogs PFAS, ADH5, SI LMNA 2524/4885MAPT 2357/4885TSHR 3559/4885
US-20080146640-A1 Water-Soluble Prodrugs of Chloramphenicol, Thiamphenicol, and Analogs Thereof TREH, ADH5, CES2 LMNA 3313/4885MAPT 2293/4885TSHR 1911/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR LMNA 1420/4885MAPT 4570/4885TSHR 2253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.